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Table 1 Comparison of visualization techniques of cheminformatics software supporting visualization

From: Scaffold Hunter: a comprehensive visual analytics framework for drug discovery

Technique DataWarrior CheS-Mapper Scaffold Hunter
Plot Yes Yes
Dim. reduction PCA, 2D-RBSa, SOM PCA, MDS MDS
Spreadsheet Yes Yes
Clustering Hierarchical WEKA/R methods Hierarchical
Special features 2D-RBSa 3D space, web application Scaffold concept, collaborative features, fast heuristic clustering [29]
  1. a2D rubber band scaling